Vitas-M small molecule compound

(3beta,8xi,9xi,14xi,17xi,20xi)-cholest-5-en-3-yl (2E)-3-chloro-2-methylbut-2-enoate

Catalog ID
STL545886
SMILES CC(CCCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)/C(=C(/Cl)\C)/C)C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C32H51ClO2 MW 503.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H51ClO2/c1-20(2)9-8-10-21(3)27-13-14-28-26-12-11-24-19-25(35-30(34)22(4)23(5)33)15-17-31(24,6)29(26)16-18-32(27,28)7/h11,20-21,25-29H,8-10,12-19H2,1-7H3/b23-22+/t21?,25-,26?,27?,28?,29?,31-,32+/m0/s1
InChIKey
YFFTTWXZRLUZRK-GWHGAFQMSA-N
Synonyms

((3~(S)10~(R)13~(R))1013dimethyl17(6methylheptan2yl)234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)(~(E))3chloro2methylbut2enoate
(3beta8xi9xi14xi17xi20xi)cholest5en3yl(2E)3chloro2methylbut2enoate
(E)(3S10R13R17R)1013dimethyl17((R)6methylheptan2yl)2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl3chloro2methylbut2enoate
135639727
CC(CCC(C@H)((C@H)1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C(=C(Cl)C)C)C)C
InChI=1SC32H51ClO2c120(2)981021(3)27131428261211241925(3530(34)22(4)23(5)33)151731(246)29(26)161832(2728)7h1120212529H8101219H217H3b2322+t21?2526?27?28?29?3132+m0s1
ZINC001772492744
ZINC001772492747

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Available files

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